6-Chloro-2,4-Dimethyl-2H-Pyrazolo[3,4-B]Pyridine - CAS 63725-54-2

Catalog:	BB052733
Product Name:	6-Chloro-2,4-Dimethyl-2H-Pyrazolo[3,4-B]Pyridine
CAS:	63725-54-2
Synonyms:	6-chloro-2,4-dimethyl-2H-pyrazolo[3,4-b]pyridine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	6-chloro-2,4-dimethylpyrazolo[3,4-b]pyridine
Molecular Weight:	181.62
Molecular Formula:	C8H8ClN3
Canonical SMILES:	CC1=CC(=NC2=NN(C=C12)C)Cl
InChI:	InChI=1S/C8H8ClN3/c1-5-3-7(9)10-8-6(5)4-12(2)11-8/h3-4H,1-2H3
InChI Key:	PKWZMAALBFVDLC-UHFFFAOYSA-N
Boiling Point:	331.2±37.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[4860-03-1]
1-Chlorohexadecane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Pyrazoles

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.040675
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.040675
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2